2-Fluoro-3-(trifluoromethyl)phenylacetic acid - CAS 194943-83-4

Catalog:	BB015093
Product Name:	2-Fluoro-3-(trifluoromethyl)phenylacetic acid
CAS:	194943-83-4
Synonyms:	Benzeneacetic acid, 2-fluoro-3-(trifluoromethyl)-; 2-Fluoro-3-(trifluoromethyl)benzeneacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid
Molecular Weight:	222.14
Molecular Formula:	C9H6F4O2
Canonical SMILES:	C1=CC(=C(C(=C1)C(F)(F)F)F)CC(=O)O
InChI:	InChI=1S/C9H6F4O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:	IZXLNEHPKQVCAE-UHFFFAOYSA-N
Boiling Point:	258.3±35.0°C at 760 mmHg
Melting Point:	113-116°C
Purity:	95%
Density:	1.436±0.06 g/cm3
Appearance:	White Crystalline Solid
Storage:	Store at RT
LogP:	2.47160

Publication Number	Title	Priority Date
CN-109053630-A	A kind of benzothiazole analog derivative and application thereof	20180822
US-2013085142-A1	SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS	20110929
US-8669255-B2	Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers	20110929
WO-2013049164-A1	SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS	20110929
AU-2010258566-A1	Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases	20090611

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.03039208
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.03039208
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4